1-(cyclodecylamino)pyrrole-2,5-dione

C14H22N2O2 — CID 118508197

IUPAC1-(cyclodecylamino)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1NC1CCCCCCCCC1
InChIInChI=1S/C14H22N2O2/c17-13-10-11-14(18)16(13)15-12-8-6-4-2-1-3-5-7-9-12/h10-12,15H,1-9H2
InChIKeyCAEWBQFTDWZNQX-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.31
Rot. Bonds2

About 1-(cyclodecylamino)pyrrole-2,5-dione

1-(cyclodecylamino)pyrrole-2,5-dione (PubChem CID 118508197) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(cyclodecylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(cyclodecylamino)pyrrole-2,5-dione
PubChem CID118508197
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(cyclodecylamino)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1NC1CCCCCCCCC1
InChIInChI=1S/C14H22N2O2/c17-13-10-11-14(18)16(13)15-12-8-6-4-2-1-3-5-7-9-12/h10-12,15H,1-9H2
InChIKeyCAEWBQFTDWZNQX-UHFFFAOYSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[6-[(2,5-Dioxopyrrol-1-yl)amino]hexylamino]pyrrole-2,5-dione
CID 20209697
1-(Hexylamino)pyrrole-2,5-dione;hydrochloride
CID 68628926
1-(Hexylamino)pyrrole-2,5-dione
CID 68628927
1-(Cycloundecylamino)pyrrole-2,5-dione
CID 118508326
1-(Cyclononylamino)pyrrole-2,5-dione
CID 126728799
1-(Cyclooctylamino)pyrrole-2,5-dione
CID 134377096
1-(Hexadecylamino)pyrrole-2,5-dione
CID 135205572
1-(Cyclohexylamino)pyrrole-2,5-dione
CID 153254283
1-(Octylamino)pyrrole-2,5-dione
CID 174680463
1-(Dodecylamino)pyrrole-2,5-dione
CID 174692650

Frequently Asked Questions

What is the IUPAC name of 1-(cyclodecylamino)pyrrole-2,5-dione?
The IUPAC name of 1-(cyclodecylamino)pyrrole-2,5-dione (CID 118508197) is 1-(cyclodecylamino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(cyclodecylamino)pyrrole-2,5-dione?
The canonical SMILES for 1-(cyclodecylamino)pyrrole-2,5-dione is O=C1C=CC(=O)N1NC1CCCCCCCCC1.
What is the InChIKey of 1-(cyclodecylamino)pyrrole-2,5-dione?
The InChIKey is CAEWBQFTDWZNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-13-10-11-14(18)16(13)15-12-8-6-4-2-1-3-5-7-9-12/h10-12,15H,1-9H2.
What are the key properties of 1-(cyclodecylamino)pyrrole-2,5-dione?
1-(cyclodecylamino)pyrrole-2,5-dione has a molecular weight of 250.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclodecylamino)pyrrole-2,5-dione is sourced from PubChem (CID 118508197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).